SCHEMBL6801151

SCHEMBL6801151

CC(C)Cc1nc(-c2ccncn2)oc1C(=O)C(CCc1ccccc1)NC(=O)C(N)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.39
MMP2 P08253 8/20 0.39
MMP3 P08254 8/20 0.37
REN P00797 7/20 0.37
MMP1 P03956 6/20 0.37
CTSK P43235 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6806942 0.90 CTSL (0.43) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6801144 0.82 CTSL (0.33) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6807014 0.82 CTSL (0.45) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6807156 0.80 MMP2 (0.40) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6918536 0.79 BMP1 (0.40) CTSLCTSSCTSBRENCTSK
SCHEMBL6918530 0.79 BMP1 (0.34) CTSLCTSSCTSBMMP2REN
SCHEMBL6918534 0.79 BMP1 (0.34) CTSLCTSSCTSBMMP2REN
SCHEMBL7238076 0.77 MMP2 (0.44) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6797434 0.76 CTSL (0.37) CTSLCTSSCTSBCTSK
SCHEMBL6807134 0.75 CTSL (0.44) CTSLCTSBMMP2MMP3MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSL 12/4885CTSS 1/4885CTSB 2/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSL 12/4885CTSS 1/4885CTSB 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.